2-methyl-2-pent-4-ynyl-1,3-thiazolidine

C9H15NS — CID 3058786

IUPAC2-methyl-2-pent-4-ynyl-1,3-thiazolidine
SMILESC#CCCCC1(C)NCCS1
InChIInChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h1,10H,4-8H2,2H3
InChIKeyUMXBPUMDAXXPNW-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-2-pent-4-ynyl-1,3-thiazolidine

2-methyl-2-pent-4-ynyl-1,3-thiazolidine (PubChem CID 3058786) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-methyl-2-pent-4-ynyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-pent-4-ynyl-1,3-thiazolidine
PubChem CID3058786
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-methyl-2-pent-4-ynyl-1,3-thiazolidine
SMILESC#CCCCC1(C)NCCS1
InChIInChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h1,10H,4-8H2,2H3
InChIKeyUMXBPUMDAXXPNW-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-2-pent-4-ynyl-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pent-4-ynyl-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-pent-4-ynyl-1,3-thiazolidine (CID 3058786) is 2-methyl-2-pent-4-ynyl-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-pent-4-ynyl-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-pent-4-ynyl-1,3-thiazolidine is C#CCCCC1(C)NCCS1.
What is the InChIKey of 2-methyl-2-pent-4-ynyl-1,3-thiazolidine?
The InChIKey is UMXBPUMDAXXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h1,10H,4-8H2,2H3.
What are the key properties of 2-methyl-2-pent-4-ynyl-1,3-thiazolidine?
2-methyl-2-pent-4-ynyl-1,3-thiazolidine has a molecular weight of 169.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pent-4-ynyl-1,3-thiazolidine is sourced from PubChem (CID 3058786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).